N-(1,3-benzodioxol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-piperidin-1-ylpyrrolo[3,4-d]pyridazine

C118H136Cl2N20O9 — CID 159117213

About N-(1,3-benzodioxol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-piperidin-1-ylpyrrolo[3,4-d]pyridazine

N-(1,3-benzodioxol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-piperidin-1-ylpyrrolo[3,4-d]pyridazine (PubChem CID 159117213) has the molecular formula C118H136Cl2N20O9 and a molecular weight of 2049.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-piperidin-1-ylpyrrolo[3,4-d]pyridazine.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-piperidin-1-ylpyrrolo[3,4-d]pyridazine
• PubChem CID: 159117213
• Molecular Formula: C118H136Cl2N20O9
• Molecular Weight: 2049.42 g/mol
• Exact Mass: 2047.02
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-piperidin-1-ylpyrrolo[3,4-d]pyridazine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCCCC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NC(C)CC(C)C)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(Cl)cc4Cl)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(OC)cc4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5c(c4)OCO5)c3c2C)cc1
• InChI: InChI=1S/C24H24Cl2N4O.C24H24N4O3.C24H26N4O2.C24H34N4O2.C22H28N4O/c1-5-31-20-10-8-19(9-11-20)30-15(3)22-14(2)28-29-24(23(22)16(30)4)27-13-17-6-7-18(25)12-21(17)26;1-5-29-19-9-7-18(8-10-19)28-15(3)22-14(2)26-27-24(23(22)16(28)4)25-17-6-11-20-21(12-17)31-13-30-20;1-6-30-21-13-9-19(10-14-21)28-16(3)22-15(2)26-27-24(23(22)17(28)4)25-18-7-11-20(29-5)12-8-18;1-9-30-19-10-11-20(21(13-19)29-8)28-17(6)22-16(5)26-27-24(23(22)18(28)7)25-15(4)12-14(2)3;1-5-27-19-11-9-18(10-12-19)26-16(3)20-15(2)23-24-22(21(20)17(26)4)25-13-7-6-8-14-25/h6-12H,5,13H2,1-4H3,(H,27,29);6-12H,5,13H2,1-4H3,(H,25,27);7-14H,6H2,1-5H3,(H,25,27);10-11,13-15H,9,12H2,1-8H3,(H,25,27);9-12H,5-8,13-14H2,1-4H3
• InChIKey: KFFVPMGGEHNYFS-UHFFFAOYSA-N
• XLogP: 27.71
• TPSA: 287.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2049.42
LogP ≤ 5	27.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-piperidin-1-ylpyrrolo[3,4-d]pyridazine?

The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-piperidin-1-ylpyrrolo[3,4-d]pyridazine (CID 159117213) is N-(1,3-benzodioxol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-piperidin-1-ylpyrrolo[3,4-d]pyridazine.

What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-piperidin-1-ylpyrrolo[3,4-d]pyridazine?

The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-piperidin-1-ylpyrrolo[3,4-d]pyridazine is CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCCCC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NC(C)CC(C)C)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(Cl)cc4Cl)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(OC)cc4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5c(c4)OCO5)c3c2C)cc1.

What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-piperidin-1-ylpyrrolo[3,4-d]pyridazine?

The InChIKey is KFFVPMGGEHNYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O.C24H24N4O3.C24H26N4O2.C24H34N4O2.C22H28N4O/c1-5-31-20-10-8-19(9-11-20)30-15(3)22-14(2)28-29-24(23(22)16(30)4)27-13-17-6-7-18(25)12-21(17)26;1-5-29-19-9-7-18(8-10-19)28-15(3)22-14(2)26-27-24(23(22)16(28)4)25-17-6-11-20-21(12-17)31-13-30-20;1-6-30-21-13-9-19(10-14-21)28-16(3)22-15(2)26-27-24(23(22)17(28)4)25-18-7-11-20(29-5)12-8-18;1-9-30-19-10-11-20(21(13-19)29-8)28-17(6)22-16(5)26-27-24(23(22)18(28)7)25-15(4)12-14(2)3;1-5-27-19-11-9-18(10-12-19)26-16(3)20-15(2)23-24-22(21(20)17(26)4)25-13-7-6-8-14-25/h6-12H,5,13H2,1-4H3,(H,27,29);6-12H,5,13H2,1-4H3,(H,25,27);7-14H,6H2,1-5H3,(H,25,27);10-11,13-15H,9,12H2,1-8H3,(H,25,27);9-12H,5-8,13-14H2,1-4H3.

What are the key properties of N-(1,3-benzodioxol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-piperidin-1-ylpyrrolo[3,4-d]pyridazine?

N-(1,3-benzodioxol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-piperidin-1-ylpyrrolo[3,4-d]pyridazine has a molecular weight of 2049.42 g/mol, XLogP of 27.71, 29 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-piperidin-1-ylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 159117213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).